From 44e6b8cbbe6eef4f761297ddb282c7c064f8dd24 Mon Sep 17 00:00:00 2001
From: PauAndrio
Date: Wed, 29 May 2024 14:09:12 +0000
Subject: [PATCH] =?UTF-8?q?Deploying=20to=20gh-pages=20from=20@=20bioexcel?=
=?UTF-8?q?/biobb=5Fpmx@78b2068039eb1acbefe7620f40cb37a26a426d1f=20?=
=?UTF-8?q?=F0=9F=9A=80?=
MIME-Version: 1.0
Content-Type: text/plain; charset=UTF-8
Content-Transfer-Encoding: 8bit
---
coverage/class_index.html | 4 ++--
coverage/coverage.xml | 2 +-
coverage/function_index.html | 4 ++--
coverage/index.html | 4 ++--
coverage/status.json | 2 +-
coverage/z_268344eb5d92dd5a___init___py.html | 4 ++--
coverage/z_442caab0b20c4829___init___py.html | 4 ++--
coverage/z_bf2f27f5e62eb5d4_test_pmxanalyse_py.html | 4 ++--
coverage/z_bf2f27f5e62eb5d4_test_pmxatom_mapping_py.html | 4 ++--
coverage/z_bf2f27f5e62eb5d4_test_pmxcreate_top_py.html | 4 ++--
coverage/z_bf2f27f5e62eb5d4_test_pmxgentop_py.html | 4 ++--
coverage/z_bf2f27f5e62eb5d4_test_pmxligand_hybrid_py.html | 4 ++--
coverage/z_bf2f27f5e62eb5d4_test_pmxmerge_ff_py.html | 4 ++--
coverage/z_bf2f27f5e62eb5d4_test_pmxmutate_py.html | 4 ++--
coverage/z_d938f4eecb54a579___init___py.html | 4 ++--
coverage/z_d938f4eecb54a579_common_py.html | 4 ++--
coverage/z_d938f4eecb54a579_pmxanalyse_py.html | 4 ++--
coverage/z_d938f4eecb54a579_pmxatom_mapping_py.html | 4 ++--
coverage/z_d938f4eecb54a579_pmxcreate_top_py.html | 4 ++--
coverage/z_d938f4eecb54a579_pmxgentop_py.html | 4 ++--
coverage/z_d938f4eecb54a579_pmxligand_hybrid_py.html | 4 ++--
coverage/z_d938f4eecb54a579_pmxmerge_ff_py.html | 4 ++--
coverage/z_d938f4eecb54a579_pmxmutate_py.html | 8 ++++----
flake8/index.html | 2 +-
junit/junit.xml | 2 +-
junit/report.html | 6 +++---
26 files changed, 51 insertions(+), 51 deletions(-)
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index 74e4b55..b63522a 100644
--- a/coverage/class_index.html
+++ b/coverage/class_index.html
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index 9cf830d..25ff346 100644
--- a/coverage/z_442caab0b20c4829___init___py.html
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coverage.py v7.5.3,
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+ created at 2024-05-29 14:09 +0000
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coverage.py v7.5.3,
- created at 2024-05-29 14:06 +0000
+ created at 2024-05-29 14:09 +0000
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index 2620ecb..8a8ffa3 100644
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coverage.py v7.5.3,
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+ created at 2024-05-29 14:09 +0000
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coverage.py v7.5.3,
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+ created at 2024-05-29 14:09 +0000
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@@ -65,7 +65,7 @@
» next
coverage.py v7.5.3,
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+ created at 2024-05-29 14:09 +0000
@@ -105,7 +105,7 @@
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coverage.py v7.5.3,
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@@ -65,7 +65,7 @@
» next
coverage.py v7.5.3,
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» next
coverage.py v7.5.3,
- created at 2024-05-29 14:06 +0000
+ created at 2024-05-29 14:09 +0000
diff --git a/coverage/z_bf2f27f5e62eb5d4_test_pmxligand_hybrid_py.html b/coverage/z_bf2f27f5e62eb5d4_test_pmxligand_hybrid_py.html
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+++ b/coverage/z_bf2f27f5e62eb5d4_test_pmxligand_hybrid_py.html
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» next
coverage.py v7.5.3,
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+ created at 2024-05-29 14:09 +0000
@@ -111,7 +111,7 @@
» next
coverage.py v7.5.3,
- created at 2024-05-29 14:06 +0000
+ created at 2024-05-29 14:09 +0000
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» next
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+ created at 2024-05-29 14:09 +0000
@@ -107,7 +107,7 @@
» next
coverage.py v7.5.3,
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+ created at 2024-05-29 14:09 +0000
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index 1fa8e09..5fcd17a 100644
--- a/coverage/z_bf2f27f5e62eb5d4_test_pmxmutate_py.html
+++ b/coverage/z_bf2f27f5e62eb5d4_test_pmxmutate_py.html
@@ -65,7 +65,7 @@
» next
coverage.py v7.5.3,
- created at 2024-05-29 14:06 +0000
+ created at 2024-05-29 14:09 +0000
@@ -105,7 +105,7 @@
» next
coverage.py v7.5.3,
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+ created at 2024-05-29 14:09 +0000
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index 8e1c38b..f50afbb 100644
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coverage.py v7.5.3,
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@@ -99,7 +99,7 @@
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coverage.py v7.5.3,
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+ created at 2024-05-29 14:09 +0000
diff --git a/coverage/z_d938f4eecb54a579_common_py.html b/coverage/z_d938f4eecb54a579_common_py.html
index 680acbe..dbb53c2 100644
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+++ b/coverage/z_d938f4eecb54a579_common_py.html
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» next
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» next
coverage.py v7.5.3,
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+ created at 2024-05-29 14:09 +0000
diff --git a/coverage/z_d938f4eecb54a579_pmxanalyse_py.html b/coverage/z_d938f4eecb54a579_pmxanalyse_py.html
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--- a/coverage/z_d938f4eecb54a579_pmxanalyse_py.html
+++ b/coverage/z_d938f4eecb54a579_pmxanalyse_py.html
@@ -65,7 +65,7 @@
» next
coverage.py v7.5.3,
- created at 2024-05-29 14:06 +0000
+ created at 2024-05-29 14:09 +0000
@@ -341,7 +341,7 @@
» next
coverage.py v7.5.3,
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diff --git a/coverage/z_d938f4eecb54a579_pmxatom_mapping_py.html b/coverage/z_d938f4eecb54a579_pmxatom_mapping_py.html
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+++ b/coverage/z_d938f4eecb54a579_pmxatom_mapping_py.html
@@ -65,7 +65,7 @@
» next
coverage.py v7.5.3,
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+ created at 2024-05-29 14:09 +0000
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» next
coverage.py v7.5.3,
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+ created at 2024-05-29 14:09 +0000
diff --git a/coverage/z_d938f4eecb54a579_pmxcreate_top_py.html b/coverage/z_d938f4eecb54a579_pmxcreate_top_py.html
index 73f199a..7437174 100644
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+++ b/coverage/z_d938f4eecb54a579_pmxcreate_top_py.html
@@ -65,7 +65,7 @@
» next
coverage.py v7.5.3,
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+ created at 2024-05-29 14:09 +0000
@@ -296,7 +296,7 @@
» next
coverage.py v7.5.3,
- created at 2024-05-29 14:06 +0000
+ created at 2024-05-29 14:09 +0000
diff --git a/coverage/z_d938f4eecb54a579_pmxgentop_py.html b/coverage/z_d938f4eecb54a579_pmxgentop_py.html
index 1a5a210..aed5c5f 100644
--- a/coverage/z_d938f4eecb54a579_pmxgentop_py.html
+++ b/coverage/z_d938f4eecb54a579_pmxgentop_py.html
@@ -65,7 +65,7 @@
» next
coverage.py v7.5.3,
- created at 2024-05-29 14:06 +0000
+ created at 2024-05-29 14:09 +0000
@@ -301,7 +301,7 @@
» next
coverage.py v7.5.3,
- created at 2024-05-29 14:06 +0000
+ created at 2024-05-29 14:09 +0000
diff --git a/coverage/z_d938f4eecb54a579_pmxligand_hybrid_py.html b/coverage/z_d938f4eecb54a579_pmxligand_hybrid_py.html
index 899b6e9..4a91474 100644
--- a/coverage/z_d938f4eecb54a579_pmxligand_hybrid_py.html
+++ b/coverage/z_d938f4eecb54a579_pmxligand_hybrid_py.html
@@ -65,7 +65,7 @@
» next
coverage.py v7.5.3,
- created at 2024-05-29 14:06 +0000
+ created at 2024-05-29 14:09 +0000
@@ -350,7 +350,7 @@
» next
coverage.py v7.5.3,
- created at 2024-05-29 14:06 +0000
+ created at 2024-05-29 14:09 +0000
diff --git a/coverage/z_d938f4eecb54a579_pmxmerge_ff_py.html b/coverage/z_d938f4eecb54a579_pmxmerge_ff_py.html
index 094aece..3d14f57 100644
--- a/coverage/z_d938f4eecb54a579_pmxmerge_ff_py.html
+++ b/coverage/z_d938f4eecb54a579_pmxmerge_ff_py.html
@@ -65,7 +65,7 @@
» next
coverage.py v7.5.3,
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+ created at 2024-05-29 14:09 +0000
@@ -250,7 +250,7 @@
» next
coverage.py v7.5.3,
- created at 2024-05-29 14:06 +0000
+ created at 2024-05-29 14:09 +0000
diff --git a/coverage/z_d938f4eecb54a579_pmxmutate_py.html b/coverage/z_d938f4eecb54a579_pmxmutate_py.html
index 44edcd4..7183364 100644
--- a/coverage/z_d938f4eecb54a579_pmxmutate_py.html
+++ b/coverage/z_d938f4eecb54a579_pmxmutate_py.html
@@ -65,7 +65,7 @@
» next
coverage.py v7.5.3,
- created at 2024-05-29 14:06 +0000
+ created at 2024-05-29 14:09 +0000
@@ -168,12 +168,12 @@
86
87 # Properties common in all PMX BB
88 self.gmx_lib = properties.get('gmx_lib', None)
- 89 if not self.gmx_lib and os.environ.get('CONDA_PREFIX', ''):
+ 89 if not self.gmx_lib and os.environ.get('CONDA_PREFIX'):
90 python_version = f"{sys.version_info.major}.{sys.version_info.minor}"
91 self.gmx_lib = str(
92 Path(os.environ.get('CONDA_PREFIX', '')).joinpath(f"lib/python{python_version}/site-packages/pmx/data/mutff/"))
93 if properties.get('container_path'):
- 94 self.gmx_lib = str(Path('/usr/local/').joinpath("lib/python3.7/site-packages/pmx/data/mutff/"))
+ 94 self.gmx_lib = str(Path('/usr/local/').joinpath("lib/python3.8/site-packages/pmx/data/mutff/"))
95 self.binary_path = properties.get('binary_path', 'pmx')
96
97 # Check the properties
@@ -284,7 +284,7 @@
» next
coverage.py v7.5.3,
- created at 2024-05-29 14:06 +0000
+ created at 2024-05-29 14:09 +0000
diff --git a/flake8/index.html b/flake8/index.html
index e772018..77b764a 100644
--- a/flake8/index.html
+++ b/flake8/index.html
@@ -9,7 +9,7 @@
flake8 violations
-
Generated on 2024-05-29 14:05
+
Generated on 2024-05-29 14:08
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diff --git a/junit/junit.xml b/junit/junit.xml
index a2b867c..98584eb 100644
--- a/junit/junit.xml
+++ b/junit/junit.xml
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+
\ No newline at end of file
diff --git a/junit/report.html b/junit/report.html
index 7697a6a..879eafc 100644
--- a/junit/report.html
+++ b/junit/report.html
@@ -7,7 +7,7 @@
report.html
- Report generated on 29-May-2024 at 14:06:34 by pytest-html
+
Report generated on 29-May-2024 at 14:09:07 by pytest-html
v4.1.1